MassBank Record: KO001133



 2-Hydroxy-4-methylpentanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001133
RECORD_TITLE: 2-Hydroxy-4-methylpentanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID H091

CH$NAME: 2-Hydroxy-4-methylpentanoate CH$NAME: D-2-Hydroxyisocaproate CH$NAME: 2-Hydroxy-4-methylpentanoic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H12O3 CH$EXACT_MASS: 132.07864 CH$SMILES: CC(C)CC(O)C(O)=O CH$IUPAC: InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s1 CH$LINK: CAS 20312-37-2 CH$LINK: KEGG C03264 CH$LINK: NIKKAJI J84.593K CH$LINK: PUBCHEM SID:6128
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 131 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-9000000000-027f1c6ebbf703c13661 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 44.800 74257.5 15 51.000 64356.5 13 58.800 14851.5 3 67.000 153465.5 32 68.000 29703.0 6 69.100 4856440.5 999 72.800 34653.5 7 73.800 14851.5 3 83.100 163366.5 34 85.100 732674.0 151 //